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Deep-Ultraviolet Transparent Cs2LiPO4 Exhibits an Unprecedented Second Harmonic Generation
Chemistry of Materials ( IF 7.2 ) Pub Date : 2016-09-21 00:00:00 , DOI: 10.1021/acs.chemmater.6b03333
Yaoguo Shen 1, 2, 3 , Yi Yang 2, 4 , Sangen Zhao 1 , Bingqing Zhao 1, 2 , Zheshuai Lin 2, 4 , Chengmin Ji 1 , Lina Li 1 , Ping Fu 3 , Maochun Hong 1 , Junhua Luo 1
Chemistry of Materials ( IF 7.2 ) Pub Date : 2016-09-21 00:00:00 , DOI: 10.1021/acs.chemmater.6b03333
Yaoguo Shen 1, 2, 3 , Yi Yang 2, 4 , Sangen Zhao 1 , Bingqing Zhao 1, 2 , Zheshuai Lin 2, 4 , Chengmin Ji 1 , Lina Li 1 , Ping Fu 3 , Maochun Hong 1 , Junhua Luo 1
Affiliation
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Developing superior deep-ultraviolet (deep-UV) nonlinear optical (NLO) materials is a great challenge because of the contradiction between deep-UV transparency and enhanced second harmonic generation (SHG), especially for deep-UV NLO phosphates in which the constituent P–O groups have relatively small microscopic SHG coefficients. Here we report a new noncentrosymmetric phosphate Cs2LiPO4 (I), whose crystal structure consists of [LiPO4]∞ layered structural units with a novel honeycomb-like topology. As compared with the benchmark deep-UV NLO material KBe2BO3F2, I is beryllium-free, and it is relatively easy to grow its large single crystals because of its congruent melting. Furthermore, it not only is deep-UV transparent but also exhibits an unexpectedly enhanced SHG response of 1.8 × KH2PO4 that hits a new high in deep-UV NLO phosphates. These results demonstrate that I satisfies the key requirements of being a promising deep-UV NLO candidate. Theory calculations and structural analysis reveal that the enhanced SHG response can be attributed to the honeycomb-like topological structure, which endows the constituent [PO4]3– monomers of I with an aligned arrangement and as a result a favorable superposition of their microscopic SHG coefficients. These findings may provide useful insights into the development of both deep-UV NLO materials and honeycomb-like topological structures.
中文翻译：
深紫外透明Cs 2 LiPO 4展现出前所未有的第二谐波
由于深紫外透明性与增强的二次谐波产生（SHG）之间存在矛盾，因此开发出优异的深紫外（deep-UV）非线性光学（NLO）材料是一个巨大的挑战，尤其是对于其中P构成的深紫外NLO磷酸盐而言-O组的微观SHG系数相对较小。在这里，我们报告了一种新的非中心对称磷酸盐Cs 2 LiPO 4（I），其晶体结构由具有新型蜂窝状拓扑结构的[LiPO 4 ] ∞分层结构单元组成。与基准深紫外NLO材料KBe 2 BO 3 F 2相比，I不含铍，并且由于熔融程度一致，因此较大的单晶生长相对容易。此外，它不仅具有深紫外线透明性，而且还具有出乎意料的增强的SHG响应1.8×KH 2 PO 4，这创下了深紫外线NLO磷酸盐的新高。这些结果表明，我满足成为有前途的深紫外线NLO候选人的关键要求。理论计算和结构分析表明，SHG反应的增强可归因于蜂窝状拓扑结构，这赋予了I的组成[PO 4 ] 3–单体具有对准的布置，并且因此其微观SHG系数的有利叠加。这些发现可能会为深入开发UV NLO材料和蜂窝状拓扑结构提供有用的见解。
更新日期：2016-09-21
中文翻译：
深紫外透明Cs 2 LiPO 4展现出前所未有的第二谐波
由于深紫外透明性与增强的二次谐波产生（SHG）之间存在矛盾，因此开发出优异的深紫外（deep-UV）非线性光学（NLO）材料是一个巨大的挑战，尤其是对于其中P构成的深紫外NLO磷酸盐而言-O组的微观SHG系数相对较小。在这里，我们报告了一种新的非中心对称磷酸盐Cs 2 LiPO 4（I），其晶体结构由具有新型蜂窝状拓扑结构的[LiPO 4 ] ∞分层结构单元组成。与基准深紫外NLO材料KBe 2 BO 3 F 2相比，I不含铍，并且由于熔融程度一致，因此较大的单晶生长相对容易。此外，它不仅具有深紫外线透明性，而且还具有出乎意料的增强的SHG响应1.8×KH 2 PO 4，这创下了深紫外线NLO磷酸盐的新高。这些结果表明，我满足成为有前途的深紫外线NLO候选人的关键要求。理论计算和结构分析表明，SHG反应的增强可归因于蜂窝状拓扑结构，这赋予了I的组成[PO 4 ] 3–单体具有对准的布置，并且因此其微观SHG系数的有利叠加。这些发现可能会为深入开发UV NLO材料和蜂窝状拓扑结构提供有用的见解。
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